SCHEMBL13200412

SCHEMBL13200412

CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3cc(Br)cn(Cc4ccccc4)c3=O)cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.58
ROCK1 Q13464 1/20 0.47
SCD O00767 1/20 0.47
SCD5 Q86SK9 1/20 0.47
RET P07949 7/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NTRK1 P04629 1/20 0.43
CSF1R P07333 3/20 0.43
CNR2 P34972 1/20 0.42
PDGFRB P09619 2/20 0.42
KIT P10721 2/20 0.42
PDGFRA P16234 2/20 0.42
MAPK13 O15264 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13234740 0.91 FLT3 (0.58) FLT3RETMEN1NPC1RAB9A
SCHEMBL13234792 0.81 FLT3 (0.59) FLT3RETMEN1NPC1RAB9A
SCHEMBL13200037 0.78 FLT3 (0.73) FLT3ROCK1RETMEN1NPC1
SCHEMBL13200093 0.78 FLT3 (0.66) FLT3ROCK1RETMEN1NPC1
SCHEMBL13200219 0.77 FLT3 (0.64) FLT3ROCK1RETMEN1NPC1
SCHEMBL13200580 0.76 FLT3 (0.72) FLT3ROCK1RETMEN1NPC1
SCHEMBL13200025 0.76 FLT3 (0.60) FLT3ROCK1RETMEN1NPC1
SCHEMBL13200153 0.76 FLT3 (0.58) FLT3ROCK1RETMEN1NPC1
SCHEMBL13200052 0.76 FLT3 (0.75) FLT3ROCK1RETMEN1NPC1
SCHEMBL13200555 0.75 FLT3 (0.73) FLT3ROCK1RETMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed